![N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea structure](/static/products/866/866010-57-3.png)
N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea
TL;DR: N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea (CAS 866010-57-3) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]-3-phenylurea
Also Known As: N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea, 3-{[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methyl}-1-phenylurea, 1-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]-3-phenylurea, 1-[(2-chloro-6-pyrrol-1-yl-phenyl)methyl]-3-phenyl-urea, N-{[2-Chloro-6-(1H-pyrrol-1-yl)phenyl]methyl}-N'-phenylurea
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 4.4524 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 785.2911 |
Chemical Identifiers
| CAS Number | 866010-57-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCC2=C(C=CC=C2Cl)N3C=CC=C3 |
Product Overview
N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea (CAS 866010-57-3), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: 1-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]-3-phenylurea.
Chemical Property Profile of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea
Property Insights of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea
The XLogP value of 4.4524 indicates that N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea?
The CAS number of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea is 866010-57-3.
What is the molecular formula of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea?
The molecular formula of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea is C18H16ClN3O.
What is the molecular weight of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea?
The molecular weight of N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea is 325.10 g/mol.
Where can I buy N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea?
You can request a quote for N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.